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Meeting 2024 TMS Annual Meeting & Exhibition
Symposium Algorithm Development in Materials Science and Engineering
Presentation Title J-7: Capturing Hydrogen Embrittlement Effects with Hydrogen Diffusion Simulation and Crystal Plasticity
Author(s) Junyan He, Anupam Neogi, Deepankar Pal, Ali Najafi, Grama Bhashyam
On-Site Speaker (Planned) Junyan He
Abstract Scope Hydrogen is a promising clean energy source, but its safe storage is challenging, as hydrogen has severe embrittling effects on metals. The extent of hydrogen embrittlement depends on the local hydrogen concentration and how it couples with the thermal and structural counterparts. This work presents a framework for hydrogen diffusion and embrittlement effects considering underlying microstructure. Microstructure RVEs are extracted at different locations of the domain to capture spatial variation of grain size, shape and microstructure texture. A homogenization simulation is performed on each RVE to extract homogenized, microstructurally informed diffusion constant. A continuum-scale diffusion simulation is performed to obtain equilibrium hydrogen concentration distribution. Average hydrogen concentration in RVE is used in crystal plasticity simulations to determine mechanical properties. A spatially nonuniform map of key mechanical properties such as Young’s modulus and yield stress is predicted. Results from shared- and distributed-memory parallel are compared.
Proceedings Inclusion? Planned:
Keywords Computational Materials Science & Engineering, Modeling and Simulation, Other

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J-7: Capturing Hydrogen Embrittlement Effects with Hydrogen Diffusion Simulation and Crystal Plasticity
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